Geometry & MOs

Info

ID:	70211
PubChem CID:	47211696
Reduced:	OSN5C11H13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	316.091535
ΔH_f, kcal/mol:	44.91
Dipole, Da:	1.92
IP(EA), eV:	-9.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethylthiophen-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CSCC(=O)NCC1=C(N=CC=C1)N2C=NC=N2

DOS

IR

Vibrations